SCHEMBL3450550

SCHEMBL3450550

COc1cc(Nc2ncc(-c3cccc(C=CC(=O)O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CDK2 P24941 3/20 0.40
GSK3B P49841 3/20 0.40
CDK4 P11802 2/20 0.40
AXL P30530 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.38
CYP3A4 P08684 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
TYRO3 Q06418 3/20 0.38
MERTK Q12866 3/20 0.38
STK16 O75716 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3450547 1.00 KDR (0.42) KDRHDAC3HDAC1HDAC2HDAC6
SCHEMBL3448845 0.96 THRB (0.40) KDRAXLMEN1KMT2ATYRO3
SCHEMBL3448834 0.96 THRB (0.40) KDRAXLMEN1KMT2ATYRO3
SCHEMBL3451256 0.91 THRB (0.40) AXLMEN1KMT2AJAK2JAK3
SCHEMBL3451251 0.91 THRB (0.40) AXLMEN1KMT2AJAK2JAK3
SCHEMBL13311982 0.90 THRB (0.36) KDRCDK2GSK3BCDK4AXL
SCHEMBL3448273 0.90 SYK (0.37) KDRAXLMEN1KMT2ASYK
SCHEMBL3448270 0.90 SYK (0.37) KDRAXLMEN1KMT2ASYK
SCHEMBL13311742 0.90 MAPK3 (0.39) AXLMEN1KMT2ATYRO3MERTK
SCHEMBL3448035 0.88 SYK (0.42) SYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD KDR 4837/4885HDAC3 1200/4885HDAC1 1109/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.